1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine

C15H21NO — CID 23361278

IUPAC1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2CC2CC2)c1
InChIInChI=1S/C15H21NO/c1-17-14-5-2-4-13(10-14)15-6-3-9-16(15)11-12-7-8-12/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyVCQJVGCDDGPNFM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine

1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine (PubChem CID 23361278) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
PubChem CID23361278
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2CC2CC2)c1
InChIInChI=1S/C15H21NO/c1-17-14-5-2-4-13(10-14)15-6-3-9-16(15)11-12-7-8-12/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyVCQJVGCDDGPNFM-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100849850
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine (CID 23361278) is 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is VCQJVGCDDGPNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-14-5-2-4-13(10-14)15-6-3-9-16(15)11-12-7-8-12/h2,4-5,10,12,15H,3,6-9,11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine?
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 23361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).